2-cyclobutyl-5-propoxypyridine-4-carbonitrile

C13H16N2O — CID 132588867

IUPAC2-cyclobutyl-5-propoxypyridine-4-carbonitrile
SMILESCCCOc1cnc(C2CCC2)cc1C#N
InChIInChI=1S/C13H16N2O/c1-2-6-16-13-9-15-12(7-11(13)8-14)10-4-3-5-10/h7,9-10H,2-6H2,1H3
InChIKeyLVPLZHJQZOKMOX-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.01
Rot. Bonds4

About 2-cyclobutyl-5-propoxypyridine-4-carbonitrile

2-cyclobutyl-5-propoxypyridine-4-carbonitrile (PubChem CID 132588867) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyclobutyl-5-propoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-cyclobutyl-5-propoxypyridine-4-carbonitrile
PubChem CID132588867
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyclobutyl-5-propoxypyridine-4-carbonitrile
SMILESCCCOc1cnc(C2CCC2)cc1C#N
InChIInChI=1S/C13H16N2O/c1-2-6-16-13-9-15-12(7-11(13)8-14)10-4-3-5-10/h7,9-10H,2-6H2,1H3
InChIKeyLVPLZHJQZOKMOX-UHFFFAOYSA-N
XLogP3.01
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-propoxypyridine-4-carbonitrile?
The IUPAC name of 2-cyclobutyl-5-propoxypyridine-4-carbonitrile (CID 132588867) is 2-cyclobutyl-5-propoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-cyclobutyl-5-propoxypyridine-4-carbonitrile?
The canonical SMILES for 2-cyclobutyl-5-propoxypyridine-4-carbonitrile is CCCOc1cnc(C2CCC2)cc1C#N.
What is the InChIKey of 2-cyclobutyl-5-propoxypyridine-4-carbonitrile?
The InChIKey is LVPLZHJQZOKMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-6-16-13-9-15-12(7-11(13)8-14)10-4-3-5-10/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-cyclobutyl-5-propoxypyridine-4-carbonitrile?
2-cyclobutyl-5-propoxypyridine-4-carbonitrile has a molecular weight of 216.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-propoxypyridine-4-carbonitrile is sourced from PubChem (CID 132588867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).